Molecule

ID:106884

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
RGACABDFLVLVCT-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)/C=C/c1ccccc1)C
Isomeric Smiles
CC(C)OC(=O)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2886965
LogD (pH = 7.4)
3.2886965
Log P
3.2886965
Molar Refractivity
56.9964
Polarizability
21.979313
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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